1-BENZYL-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC ACID PINACOL ESTER
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1-BENZYL-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC ACID PINACOL ESTER
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CAS No:
1048976-83-5
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Formula:
C18H28BNO3
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Chemical Name:
1-BENZYL-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC ACID PINACOL ESTER
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Synonyms:
1-BENZYL-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC ACID PINACOL ESTER;1-BENZYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1,2,3,6-TETRAHYDROPYRIDINE;1,2,3,6-Tetrahydro-1-(phenylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3-hydroxy-2,3-dimethylbutan-2-yl hydrogen (1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)boronate;1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;1-Benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
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CAS No:
1-BENZYL-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC ACID PINACOL ESTER Basic Attributes
317.23082
299.205658
DTXSID80678049
2934999090
1-BENZYL-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC ACID PINACOL ESTER Use and Manufacturing
Under nitrogen protection, in the reaction bottle, N-Benzyl-1, 2, 5, 6-tetrahydropyridine-4-bromo (25.2 g, 0.1 mol), Boronic acid pinacol ester (30.5g, 0.12mol), Cuprous oxide (1.43g, 0.01mol), 1, 3-bis(diphenylphosphino)propane (8.25 g, 0.02 mol), Lithium tert-butoxide (17.6 g, 0.22 mol) was dissolved in N, N-dimethylformamide (130 g), and the reaction was stirred at a temperature of 45 C to 55 C;The reaction mixture was filtered through celite, and the filter cake was rinsed with toluene (50 g).The filtrate was diluted with toluene (50 g) and the filtrate was washed with water (100 g).Layered, GC detected organic layer without N, N-dimethylformamide, The organic layer was washed with saturated brine (100 g) and evaporated to dryness.Add heptane / ethanol = 3:1 beating, After filtration, 20.3 g of an off-white solid N-benzyl-1, 2, 5, 6-tetrahydropyridine-4-boronic acid pinacol ester was obtained, HPLC: 99.6%, yield 68%.
Computed Properties
Molecular Weight:299.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:299.2056592
Monoisotopic Mass:299.2056592
Topological Polar Surface Area:21.7
Heavy Atom Count:22
Complexity:411
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-BENZYL-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC ACID PINACOL ESTER
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